Summary

IMPPAT Phytochemical identifier: IMPHY009452

Phytochemical name: Pyrocurzerenone

Synonymous chemical names:
pyrocurzerenone

External chemical identifiers:
CID:12314812, ChEBI:173606, MolPort-044-723-371

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Chemical structure information

SMILES:
CC1=Cc2c(CC1)c(C)cc1c2c(C)co1

InChI:
InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h6-8H,4-5H2,1-3H3

InChIKey:
JSWOSPDHAFLJHZ-UHFFFAOYSA-N

DeepSMILES:
CC=CccCC6))cC)ccc6cC)co5

Functional groups:
cC=C(C)C, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2c(ccc3occc23)CC1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1OCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 1.616

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Chemical structure download